2-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-3-yl]oxyethylazanium

Systemtic Name: 2-[6-oxidanylidene-8-[[3-oxidanyl-3-oxidanylidene-2-(phenylsulfonylamino)propyl]carbamoyl]quinolizin-3-yl]oxyethylazanium Openeye Name: 2-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxo-propyl]carbamoyl]-6-oxo-quinolizin-3-yl]oxyethylammonium CAS Name: 2-[[8-[[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]amino]-oxomethyl]-6-oxo-3-quinolizinyl]oxy]ethylammonium IUPAC Name: 2-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-oxopropyl]carbamoyl]-6-oxoquinolizin-3-yl]oxyethylazanium Traditional Name: 2-[8-[[2-(benzenesulfonamido)-3-hydroxy-3-keto-propyl]carbamoyl]-6-keto-quinolizin-3-yl]oxyethylammonium Formula: C21H23N4O7S+ MolecularWeight: 475.49492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCC[NH3+])C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC(=O)N3C=C(C=CC3=C2)OCC[NH3+])C(=O)O

InChI

InChI=1S/C21H22N4O7S/c22-8-9-32-16-7-6-15-10-14(11-19(26)25(15)13-16)20(27)23-12-18(21(28)29)24-33(30,31)17-4-2-1-3-5-17/h1-7,10-11,13,18,24H,8-9,12,22H2,(H,23,27)(H,28,29)/p+1